Inder P. Batra, P.S. Bagus, et al.
Physical Review Letters
Paper
The origin of the shift in the CO vibration of chemisorbed CO: Cluster model studies for CO / Cu(100)
Abstract
Two major contributions to the shift of the CO stretch vibrational frequency between free CO and chemisorbed CO/Cu(100) are identified. The overlap and consequent repulsion between the CO and metal orbitals leads to an increase in the frequency. The metal charge donation and dative bonding to CO 2π* leads to a decrease. © 1985.
Related
P.S. Bagus, A. Hibbert, et al.
Journal of Physics B: Atomic and Molecular Physics
P.S. Bagus, C.R. Brundle, et al.
Physical Review Letters
R. Broeri, Inder P. Batra, et al.
Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties